Information card for entry 7221130

Structure parameters

• Formula: C179 H188 La N10 O52 P2 S8
• Calculated formula: C179 H152 La N10 O52 P2 S8
• Title of publication: Efficient packing of long flexible bis-imidazolium cations in the ubiquitous bilayers of their p-sulfonatocalixarene salts
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Sabah, Karem; Hashim, Rauzah
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 30
• Pages of publication: 5841
• a: 12.7595 ± 0.0006 Å
• b: 18.6525 ± 0.0012 Å
• c: 20.5628 ± 0.0012 Å
• α: 94.553 ± 0.005°
• β: 100.514 ± 0.004°
• γ: 106.892 ± 0.005°
• Cell volume: 4558.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2533
• Residual factor for significantly intense reflections: 0.1607
• Weighted residual factors for significantly intense reflections: 0.3545
• Weighted residual factors for all reflections included in the refinement: 0.4141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No